(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate

C6H10ClO2- — CID 177444306

IUPAC(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate
SMILESCC(C)(C)O/C([O-])=C/Cl
InChIInChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4,8H,1-3H3/p-1/b5-4+
InChIKeyKPPGVWSMKWSVNL-SNAWJCMRSA-M
MW149.60 g/mol
LogP1.20
Rot. Bonds1

About (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate

(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate (PubChem CID 177444306) has the molecular formula C6H10ClO2- and a molecular weight of 149.60 g/mol. Its IUPAC name is (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate.

Molecular Properties

Compound Name(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate
PubChem CID177444306
Molecular FormulaC6H10ClO2-
Molecular Weight149.60 g/mol
Exact Mass149.04
IUPAC Name(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate
SMILESCC(C)(C)O/C([O-])=C/Cl
InChIInChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4,8H,1-3H3/p-1/b5-4+
InChIKeyKPPGVWSMKWSVNL-SNAWJCMRSA-M
XLogP1.20
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894311
potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
CID 75527807
CID 136805435
CID 136805435
lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
CID 10464342
2-[(Z)-1,2-dichloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
CID 134895292
4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoate
CID 7055993
tert-butyl prop-2-enoate;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 86609323
sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
(Z)-2-methyl-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894334
tert-butyl 2-bromobut-2-enoate
CID 86092926
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
azanium 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
CID 11658375

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate?
The IUPAC name of (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate (CID 177444306) is (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate.
What is the SMILES notation for (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate?
The canonical SMILES for (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate is CC(C)(C)O/C([O-])=C/Cl.
What is the InChIKey of (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate?
The InChIKey is KPPGVWSMKWSVNL-SNAWJCMRSA-M. The full InChI is InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4,8H,1-3H3/p-1/b5-4+.
What are the key properties of (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate?
(E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate has a molecular weight of 149.60 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-1-[(2-methylpropan-2-yl)oxy]ethenolate is sourced from PubChem (CID 177444306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).